3-[2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoylamino]butanoic acid

Systemtic Name: 3-[2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoylamino]butanoic acid Openeye Name: 3-[[2-[5-(3-thienyl)tetrazol-2-yl]acetyl]amino]butanoic acid CAS Name: 3-[[1-oxo-2-[5-(3-thiophenyl)-2-tetrazolyl]ethyl]amino]butanoic acid IUPAC Name: 3-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid Traditional Name: 3-[[2-[5-(3-thienyl)tetrazol-2-yl]acetyl]amino]butyric acid Formula: C11H13N5O3S MolecularWeight: 295.31762

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CN1N=C(N=N1)C2=CSC=C2

Isomeric SMILES

CC(CC(=O)O)NC(=O)CN1N=C(N=N1)C2=CSC=C2

InChI

InChI=1S/C11H13N5O3S/c1-7(4-10(18)19)12-9(17)5-16-14-11(13-15-16)8-2-3-20-6-8/h2-3,6-7H,4-5H2,1H3,(H,12,17)(H,18,19)